4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[2-methylpropyl(2-pyrrolidin-1-ylethanoyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[2-methylpropyl(2-pyrrolidin-1-ylethanoyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide Openeye Name: (E)-2-[[isobutyl-(2-pyrrolidin-1-ylacetyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-N-hydroxy-2-[(4-methyl-1-oxopentyl)-[2-methylpropyl-[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]amino]-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(2-pyrrolidin-1-ylacetyl)amino]amino]-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[[isobutyl-(2-pyrrolidinoacetyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C34H50N4O7S MolecularWeight: 658.8484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)NO)N(CC(C)C)C(=O)CN2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)NO)N(CC(C)C)C(=O)CN2CCCC2

InChI

InChI=1S/C27H42N4O4.C7H8O3S/c1-21(2)15-16-25(32)31(30(19-22(3)4)26(33)20-29-17-8-9-18-29)24(27(34)28-35)14-10-13-23-11-6-5-7-12-23;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10-13,21-22,24,35H,8-9,14-20H2,1-4H3,(H,28,34);2-5H,1H3,(H,8,9,10)/b13-10+;